Optibrium, a provider of software
solutions for drug discovery, today launches StarDrop 5.1, an upgraded version
of its innovative support tool which helps drug discovery scientists to guide
key decisions in drug discovery and quickly achieve successful project outcomes.
As a result of this upgrade, StarDrop's unique capabilities to guide the design
and selection of high quality, novel compounds are now available on the Apple
Mac, a reflection of the increasing popularity of Macs within the industry.
The revolutionary StarDrop 5.1 is a
powerful yet user friendly software package which combines predictive capabilities
with intuitive approaches to quickly and confidently target compounds with a
good balance of properties, thereby reducing wasted effort and speeding
progress to identify effective lead and candidate drugs. StarDrop's unique
approach to ‘multi-parameter optimisation' explicitly accounts for the
uncertainty in drug discovery data, whether due to experimental variability or
predictive error, to provide scientists with a rigorous, objective analysis on
which to make rational decisions.
As well as compatibility with the
Apple Mac, StarDrop 5.1 brings a number of significant enhancements to existing
features of StarDrop. For example, there is a new method for creating ‘chemical
space' visualizations based on the latest machine learning algorithm for
‘visual clustering', that helps to easily explore the diversity of a project's
chemistry and identify ‘hot spots' of high quality chemistry for further
investigation.
There are also improvements to
StarDrop's plug-in modules: The
Auto-Modeller
TM sees the addition of the ‘Random
Forests' technique to its extensive repertoire for building predictive models
tailored to a project's chemistry and data. The addition of this new method has
also led to improved QSAR models in the ADME QSAR module, which provides
predictions of key ADME properties. StarDrop's P450 metabolism module has been
upgraded to provide improved prediction of regioselectivity and lability of
metabolism by Cytochrome P450 enzymes, specifically around N-oxidation
pathways. Finally, in response to user feedback on the new Nova
TM module,
further advances allow the generation of novel, relevant compounds ideas,
prioritised against a project's required property profile, starting from
multiple initial structures and filtered according to user-specified rules to
avoid unwanted substructures.
Dr. Matthew Segall, CEO of Optibrium,
explains "These latest developments within StarDrop 5.1 demonstrate Optibrium's
commitment to deliver leading-edge technology while simultaneously responding
to user feedback in order to ensure that it is accessible in the most
user-friendly way. We work with drug discovery scientists, project leaders and
R&D directors to provide tools that support confident decision-making to focus
resources and improve efficiency."
For more information about StarDrop
5.1 and Optibrium's software solutions please visit
www.optibrium.com, alternatively please
call +44 (0) 1223 815 900 or email
info@optibrium.com
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